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Name |
Benzene,2,4-difluoro-1-(methylsulfonyl)- |
EINECS | N/A |
CAS No. | 236739-02-9 | Density | 1.376 g/cm3 |
PSA | 42.52000 | LogP | 2.44910 |
Solubility | N/A | Melting Point |
60-61 °C |
Formula | C7H6F2O2S | Boiling Point | 289.2 °C at 760 mmHg |
Molecular Weight | 192.186 | Flash Point | 128.7 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2,4-Difluoro-1-(methylsulfonyl)benzene;2,4-Difluorophenyl methyl sulfone; |
Article Data | 4 |
The Benzene,2,4-difluoro-1-(methylsulfonyl)-, with the CAS registry number 236739-02-9, is also known as 2,4-Difluorophenylmethylsulfone. This chemical's molecular formula is C7H6F2O2S and molecular weight is 192.1831. Its systematic name is called 2,4-difluoro-1-(methylsulfonyl)benzene.
Physical properties of Benzene,2,4-difluoro-1-(methylsulfonyl)-: (1)ACD/LogP: 0.66; (2)ACD/LogD (pH 5.5): 0.66; (3)ACD/LogD (pH 7.4): 0.66; (4)ACD/BCF (pH 5.5): 1.88; (5)ACD/BCF (pH 7.4): 1.88; (6)ACD/KOC (pH 5.5): 54.59; (7)ACD/KOC (pH 7.4): 54.59; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.49; (11)Molar Refractivity: 40.42 cm3; (12)Molar Volume: 139.6 cm3; (13)Surface Tension: 34.3 dyne/cm; (14)Density: 1.376 g/cm3; (15)Flash Point: 128.7 °C; (16)Enthalpy of Vaporization: 50.73 kJ/mol; (17)Boiling Point: 289.2 °C at 760 mmHg; (18)Vapour Pressure: 0.00388 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(c1ccc(F)cc1F)C
(2)InChI: InChI=1/C7H6F2O2S/c1-12(10,11)7-3-2-5(8)4-6(7)9/h2-4H,1H3
(3)InChIKey: QERFJRMBVQTJAP-UHFFFAOYAQ